2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethylphenyl)propan-1-one

Systemtic Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethylphenyl)propan-1-one Openeye Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethylphenyl)propan-1-one CAS Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(2,5-dimethylphenyl)-1-propanone IUPAC Name: 2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,5-dimethylphenyl)propan-1-one Traditional Name: 2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(2,5-dimethylphenyl)propan-1-one Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C(C)SC2=NN=C(N2C3CC3)C4=CC=NC=C4

InChI

InChI=1S/C21H22N4OS/c1-13-4-5-14(2)18(12-13)19(26)15(3)27-21-24-23-20(25(21)17-6-7-17)16-8-10-22-11-9-16/h4-5,8-12,15,17H,6-7H2,1-3H3